1-Methylcyclopropanecarboxylic acid

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Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Quantity Value Units Method Reference Comment
Tboil457.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus303.9KN/ASiegel and Bergstrom, 1950Uncertainty assigned by TRC = 4. K; TRC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C5H7O2- + Hydrogen cation = 1-Methylcyclopropanecarboxylic acid

By formula: C5H7O2- + H+ = C5H8O2

Quantity Value Units Method Reference Comment
Δr344.1 ± 2.9kcal/molG+TSGraul, Schnute, et al., 1990gas phase
Quantity Value Units Method Reference Comment
Δr337.1 ± 2.8kcal/molCIDCGraul, Schnute, et al., 1990gas phase

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

De-protonation reactions

C5H7O2- + Hydrogen cation = 1-Methylcyclopropanecarboxylic acid

By formula: C5H7O2- + H+ = C5H8O2

Quantity Value Units Method Reference Comment
Δr344.1 ± 2.9kcal/molG+TSGraul, Schnute, et al., 1990gas phase
Quantity Value Units Method Reference Comment
Δr337.1 ± 2.8kcal/molCIDCGraul, Schnute, et al., 1990gas phase

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-8562
NIST MS number 238587

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References

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Siegel and Bergstrom, 1950
Siegel, S.; Bergstrom, S.G., The Synthesis of 1-Methylcyclopropanemethanol, J. Am. Chem. Soc., 1950, 72, 3815-7. [all data]

Graul, Schnute, et al., 1990
Graul, S.T.; Schnute, M.E.; Squires, R.R., Gas-Phase Acidities of Carboxylic Acids and Alcohols from Collision-Induced Dissociation of Dimer Cluster Ions, Int. J. Mass Spectrom. Ion Proc., 1990, 96, 2, 181, https://doi.org/10.1016/0168-1176(90)87028-F . [all data]


Notes

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References